#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgp n ARG 37 N 0.00 0.00 -0.91 0.54 1.85 -1.26 -4.92 116.66 111.95 1rgp n ARG 37 Ca 0.00 -0.65 -0.35 0.00 -1.00 0.00 0.00 57.85 55.86 1rgp n ARG 37 Cb 0.00 -2.07 0.07 0.00 -1.05 0.00 0.00 32.46 29.42 1rgp n ARG 37 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1rgp n PRO 38 N 6.04 -0.18 -2.11 2.89 -0.01 -1.26 -4.93 135.00 135.45 1rgp n PRO 38 Ca 0.21 -0.04 -0.41 0.00 -0.01 0.00 0.00 63.50 63.25 1rgp n PRO 38 Cb 0.21 -1.33 -0.03 0.00 -0.01 0.00 0.00 33.50 32.35 1rgp n PRO 38 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 175.50 174.24 1rgp s PRO 39 N -2.64 4.33 0.40 0.52 0.04 -1.26 -5.06 135.00 131.33 1rgp s PRO 39 Ca 0.46 2.19 0.08 0.00 0.04 0.00 0.00 61.00 63.76 1rgp s PRO 39 Cb -0.17 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 1rgp s PRO 39 CO 0.76 -0.32 0.40 -0.51 0.04 0.00 0.00 177.00 177.37 1rgp s LEU 40 N -0.42 3.52 0.31 -3.56 1.43 -1.26 -4.97 118.68 113.74 1rgp s LEU 40 Ca 0.57 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 1rgp s LEU 40 Cb -0.39 -2.25 0.71 0.00 0.03 0.00 0.00 46.19 44.29 1rgp s LEU 40 CO 0.42 -0.60 1.82 -0.65 0.23 0.00 0.00 176.35 177.57 1rgp h PRO 41 N 0.99 0.79 -0.64 1.29 0.11 -1.98 0.81 132.00 133.38 1rgp h PRO 41 Ca -0.42 -0.05 -0.25 0.00 0.11 0.00 0.00 66.00 65.40 1rgp h PRO 41 Cb 1.27 -0.18 -0.15 0.00 0.11 0.00 0.00 31.00 32.05 1rgp h PRO 41 CO 0.55 0.52 0.23 0.09 -0.21 0.00 0.00 178.00 179.18 1rgp n ASN 42 N -4.66 3.87 -3.88 -2.05 3.02 -1.25 -5.03 115.26 105.27 1rgp n ASN 42 Ca 0.21 -3.42 -0.51 0.00 -0.03 0.00 0.00 54.58 50.82 1rgp n ASN 42 Cb 0.49 -0.71 -0.07 0.00 -0.61 0.00 0.00 39.78 38.88 1rgp n ASN 42 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1rgp n GLN 43 N -0.68 0.00 -0.04 3.52 -0.06 0.28 -4.51 117.38 115.88 1rgp n GLN 43 Ca 0.41 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 55.36 1rgp n GLN 43 Cb 1.30 -1.29 -0.06 0.00 -4.06 0.00 0.00 30.24 26.12 1rgp n GLN 43 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1rgp n GLN 44 N 1.34 2.50 -3.84 3.69 1.13 -1.26 -4.91 117.38 116.04 1rgp n GLN 44 Ca 0.17 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.88 1rgp n GLN 44 Cb 0.07 -1.21 -0.06 0.00 0.11 0.00 0.00 30.24 29.15 1rgp n GLN 44 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1rgp s PHE 45 N -2.20 3.59 -0.95 1.08 0.40 -1.26 -4.38 117.98 114.27 1rgp s PHE 45 Ca -0.05 0.53 -0.00 0.00 -0.60 0.00 0.00 56.93 56.81 1rgp s PHE 45 Cb 0.02 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.61 1rgp s PHE 45 CO 0.33 0.69 0.03 0.41 0.70 0.00 0.00 175.22 177.37 1rgp n GLY 46 N 1.57 -0.08 3.27 4.36 0.00 -1.17 -5.04 105.19 108.10 1rgp n GLY 46 Ca -0.16 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 1rgp n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rgp s VAL 47 N -2.58 1.82 0.89 1.61 1.01 -1.26 -4.67 120.40 117.22 1rgp s VAL 47 Ca 0.01 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 60.78 1rgp s VAL 47 Cb -0.01 -1.54 0.12 0.00 0.00 0.00 0.00 36.38 34.96 1rgp s VAL 47 CO 0.02 0.41 1.08 -1.54 0.00 0.00 0.00 175.10 175.07 1rgp n SER 48 N 2.23 0.23 0.14 3.32 3.41 -1.26 -4.65 113.62 117.04 1rgp n SER 48 Ca -0.16 0.45 0.02 0.00 -0.26 0.00 0.00 58.87 58.92 1rgp n SER 48 Cb 0.52 -1.46 0.35 0.00 -0.26 0.00 0.00 64.21 63.37 1rgp n SER 48 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1rgp h LEU 49 N -1.62 0.15 -0.23 1.04 3.38 -1.98 -1.65 115.31 114.39 1rgp h LEU 49 Ca -0.44 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.27 1rgp h LEU 49 Cb 1.28 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1rgp h LEU 49 CO 0.41 0.43 -0.86 1.56 0.09 0.00 0.00 178.44 180.07 1rgp h GLN 50 N 0.14 0.47 0.12 1.13 4.20 -1.95 -2.64 115.11 116.57 1rgp h GLN 50 Ca 0.02 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.28 1rgp h GLN 50 Cb 0.56 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1rgp h GLN 50 CO 0.04 1.09 -0.06 1.25 -0.67 0.00 0.00 178.83 180.49 1rgp h HIS 51 N 0.29 -0.15 -0.59 2.96 2.76 -1.89 -1.91 115.15 116.62 1rgp h HIS 51 Ca -0.06 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.21 1rgp h HIS 51 Cb 1.48 0.05 -0.08 0.00 1.55 0.00 0.00 27.41 30.41 1rgp h HIS 51 CO 0.06 -0.09 0.15 -0.07 -1.30 0.00 0.00 177.93 176.68 1rgp h LEU 52 N -0.16 0.05 -0.98 0.26 3.38 -1.29 -2.75 115.31 113.82 1rgp h LEU 52 Ca -0.02 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1rgp h LEU 52 Cb 0.13 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1rgp h LEU 52 CO 0.03 0.04 -0.29 -0.61 0.09 0.00 0.00 178.44 177.70 1rgp h GLN 53 N 0.29 0.39 -0.69 1.13 4.15 -1.17 -3.05 115.11 116.17 1rgp h GLN 53 Ca 0.31 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 1rgp h GLN 53 Cb 0.44 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1rgp h GLN 53 CO -0.37 0.65 0.29 0.93 -1.93 0.00 0.00 178.83 178.40 1rgp h GLU 54 N 0.35 1.00 0.00 1.69 5.08 -1.07 -2.48 114.58 119.15 1rgp h GLU 54 Ca 0.05 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1rgp h GLU 54 Cb 0.69 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1rgp h GLU 54 CO 0.05 0.80 0.00 1.63 -1.00 0.00 0.00 179.01 180.50 1rgp n LYS 55 N -4.31 0.05 -3.41 2.33 4.76 -1.09 -4.71 118.16 111.78 1rgp n LYS 55 Ca 0.06 0.14 -0.38 0.00 -2.87 0.00 0.00 58.31 55.26 1rgp n LYS 55 Cb 0.16 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 31.72 1rgp n LYS 55 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1rgp s ASN 56 N -3.29 6.77 0.46 4.39 3.04 -0.93 -4.99 114.94 120.38 1rgp s ASN 56 Ca 0.11 0.92 0.26 0.00 0.04 0.00 0.00 52.86 54.18 1rgp s ASN 56 Cb 0.14 -2.27 1.02 0.00 -1.54 0.00 0.00 41.25 38.60 1rgp s ASN 56 CO 0.44 0.19 1.87 1.55 -3.04 0.00 0.00 177.10 178.11 1rgp h PRO 57 N 5.55 0.00 -0.17 0.43 0.14 -1.85 -0.64 132.00 135.47 1rgp h PRO 57 Ca -0.47 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.67 1rgp h PRO 57 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.34 1rgp h PRO 57 CO 0.68 0.19 0.00 -0.85 0.14 0.00 0.00 178.00 178.15 1rgp n GLU 58 N -3.37 1.80 -3.66 0.86 0.28 -1.26 -4.93 120.64 110.37 1rgp n GLU 58 Ca 0.00 -1.20 -0.27 0.00 -0.16 0.00 0.00 57.16 55.54 1rgp n GLU 58 Cb 0.40 -1.41 0.04 0.00 1.43 0.00 0.00 31.44 31.90 1rgp n GLU 58 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1rgp n GLN 59 N 0.43 -6.07 -2.98 3.44 3.00 -0.25 -4.91 117.38 110.04 1rgp n GLN 59 Ca 0.17 0.70 -0.40 0.00 -0.01 0.00 0.00 57.00 57.46 1rgp n GLN 59 Cb 0.36 -5.63 -0.05 0.00 0.00 0.00 0.00 30.24 24.92 1rgp n GLN 59 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1rgp s GLU 60 N -6.36 4.49 0.19 -1.09 1.03 -1.26 -4.96 118.70 110.74 1rgp s GLU 60 Ca 0.58 1.06 0.24 0.00 0.03 0.00 0.00 54.97 56.88 1rgp s GLU 60 Cb -0.28 -3.38 0.30 0.00 -0.80 0.00 0.00 34.13 29.98 1rgp s GLU 60 CO 0.71 0.24 1.33 -1.00 -1.33 0.00 0.00 175.26 175.22 1rgp h PRO 61 N 5.84 0.00 -5.42 -4.83 0.13 -1.92 -3.40 132.00 122.40 1rgp h PRO 61 Ca -0.43 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.08 1rgp h PRO 61 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1rgp h PRO 61 CO 0.72 0.00 0.06 0.42 -0.23 0.00 0.00 178.00 178.96 1rgp s ILE 62 N -3.22 5.03 0.44 -3.56 -1.09 -1.26 -4.90 121.20 112.65 1rgp s ILE 62 Ca 0.05 0.98 -0.24 0.00 -2.23 0.00 0.00 60.65 59.20 1rgp s ILE 62 Cb 0.11 -3.87 -0.09 0.00 -1.58 0.00 0.00 42.46 37.03 1rgp s ILE 62 CO 0.72 0.06 1.19 -2.65 -1.23 0.00 0.00 174.94 173.02 1rgp n PRO 63 N 5.62 1.68 -0.28 2.79 -0.02 -1.26 -4.69 135.00 138.84 1rgp n PRO 63 Ca -0.03 0.60 0.01 0.00 -2.02 0.00 0.00 63.50 62.06 1rgp n PRO 63 Cb 0.49 -2.29 0.13 0.00 -0.02 0.00 0.00 33.50 31.82 1rgp n PRO 63 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1rgp h ILE 64 N 1.78 0.98 -0.75 4.25 2.10 -1.95 -1.26 117.51 122.66 1rgp h ILE 64 Ca -0.47 -0.29 0.13 0.00 1.08 0.00 0.00 64.86 65.32 1rgp h ILE 64 Cb 1.31 0.08 -0.09 0.00 -1.09 0.00 0.00 36.82 37.03 1rgp h ILE 64 CO 0.58 0.15 0.32 0.58 -1.08 0.00 0.00 178.15 178.70 1rgp h VAL 65 N 0.83 0.69 -0.18 2.19 2.07 -1.96 -1.73 116.25 118.16 1rgp h VAL 65 Ca 0.36 -0.17 -0.20 0.00 0.82 0.00 0.00 66.70 67.52 1rgp h VAL 65 Cb 0.23 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1rgp h VAL 65 CO -0.20 0.09 -0.67 -0.07 0.02 0.00 0.00 177.57 176.75 1rgp h LEU 66 N 0.48 0.82 -0.54 2.57 3.38 -1.77 0.75 115.31 121.00 1rgp h LEU 66 Ca 0.41 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1rgp h LEU 66 Cb 0.59 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1rgp h LEU 66 CO -0.38 1.27 0.11 0.03 0.09 0.00 0.00 178.44 179.56 1rgp h ARG 67 N 0.51 0.88 -0.01 1.13 3.08 -0.79 -1.90 114.38 117.29 1rgp h ARG 67 Ca -0.02 -0.23 -0.17 0.00 0.07 0.00 0.00 59.98 59.64 1rgp h ARG 67 Cb 1.27 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 31.22 1rgp h ARG 67 CO 0.13 0.85 -0.65 0.93 -1.07 0.00 0.00 179.97 180.17 1rgp h GLU 68 N 0.78 0.45 -0.32 0.04 5.08 -1.30 -1.35 114.58 117.95 1rgp h GLU 68 Ca 0.17 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1rgp h GLU 68 Cb 0.38 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1rgp h GLU 68 CO 0.01 1.13 0.18 1.79 -1.00 0.00 0.00 179.01 181.11 1rgp h THR 69 N -0.03 1.13 -0.76 1.13 1.35 -0.88 -1.29 112.91 113.55 1rgp h THR 69 Ca -0.08 -0.33 -0.05 0.00 -0.55 0.00 0.00 66.41 65.40 1rgp h THR 69 Cb 1.35 0.77 -0.03 0.00 -1.73 0.00 0.00 68.15 68.50 1rgp h THR 69 CO 0.13 0.13 0.28 0.58 -0.25 0.00 0.00 175.52 176.39 1rgp h VAL 70 N 0.40 1.26 -0.50 6.82 2.07 -1.39 -1.13 116.25 123.79 1rgp h VAL 70 Ca 0.11 -0.86 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1rgp h VAL 70 Cb 0.05 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1rgp h VAL 70 CO -0.02 0.34 -0.06 0.00 0.02 0.00 0.00 177.57 177.86 1rgp h ALA 71 N 1.14 0.68 -0.33 1.67 0.00 -1.05 -0.90 119.26 120.47 1rgp h ALA 71 Ca 0.25 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1rgp h ALA 71 Cb 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rgp h ALA 71 CO -0.02 0.54 0.05 -0.92 0.00 0.00 0.00 179.25 178.91 1rgp h TYR 72 N 0.77 0.58 -0.50 0.00 3.20 -0.95 -1.64 116.97 118.43 1rgp h TYR 72 Ca 0.13 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 1rgp h TYR 72 Cb 0.60 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1rgp h TYR 72 CO 0.04 0.61 0.06 -0.07 -1.64 0.00 0.00 178.16 177.16 1rgp h LEU 73 N 0.37 0.76 -0.77 2.82 3.38 -1.15 -0.16 115.31 120.56 1rgp h LEU 73 Ca 0.10 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1rgp h LEU 73 Cb 0.35 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1rgp h LEU 73 CO 0.01 0.79 0.21 1.56 0.09 0.00 0.00 178.44 181.09 1rgp h GLN 74 N 0.76 1.13 -0.43 1.13 4.20 -1.07 0.11 115.11 120.94 1rgp h GLN 74 Ca 0.16 -0.25 -0.14 0.00 0.06 0.00 0.00 58.65 58.48 1rgp h GLN 74 Cb 0.38 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1rgp h GLN 74 CO 0.01 0.97 -0.27 0.00 -0.67 0.00 0.00 178.83 178.88 1rgp h ALA 75 N 1.14 0.72 0.00 3.87 0.00 -0.47 -3.41 119.26 121.10 1rgp h ALA 75 Ca 0.23 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1rgp h ALA 75 Cb 0.33 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rgp h ALA 75 CO -0.00 0.67 -1.11 0.72 0.00 0.00 0.00 179.25 179.53 1rgp n HIS 76 N -4.09 0.00 -0.32 0.00 8.25 -0.15 -4.90 115.22 114.01 1rgp n HIS 76 Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 1rgp n HIS 76 Cb 0.48 -0.07 0.16 0.00 1.12 0.00 0.00 29.99 31.68 1rgp n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rgp n ALA 77 N -1.83 2.30 0.31 -1.41 0.00 0.01 -4.75 120.51 115.14 1rgp n ALA 77 Ca -0.02 -1.36 0.18 0.00 0.00 0.00 0.00 53.44 52.25 1rgp n ALA 77 Cb 0.32 -0.44 0.97 0.00 0.00 0.00 0.00 19.45 20.30 1rgp n ALA 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1rgp h LEU 78 N 1.74 0.00 -3.02 0.00 3.38 -1.79 -2.36 115.31 113.26 1rgp h LEU 78 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rgp h LEU 78 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1rgp h LEU 78 CO 0.04 0.03 -0.11 1.07 0.09 0.00 0.00 178.44 179.55 1rgp n THR 79 N -3.35 2.00 -3.02 0.22 5.66 -1.26 -4.61 114.28 109.93 1rgp n THR 79 Ca -0.02 -2.48 -0.43 0.00 -3.05 0.00 0.00 64.05 58.07 1rgp n THR 79 Cb 0.15 -0.24 -0.06 0.00 -1.55 0.00 0.00 70.33 68.63 1rgp n THR 79 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1rgp s THR 80 N -2.97 4.69 0.22 1.09 2.01 -0.89 -4.29 115.64 115.51 1rgp s THR 80 Ca 0.34 0.17 -0.32 0.00 0.31 0.00 0.00 61.69 62.20 1rgp s THR 80 Cb 0.31 -4.32 -0.14 0.00 0.01 0.00 0.00 72.50 68.36 1rgp s THR 80 CO 0.01 -0.76 1.38 1.21 -0.69 0.00 0.00 174.62 175.77 1rgp n GLU 81 N 6.62 1.88 -1.04 4.92 0.00 -1.26 -2.30 120.64 129.47 1rgp n GLU 81 Ca -0.00 0.67 -0.01 0.00 0.00 0.00 0.00 57.16 57.81 1rgp n GLU 81 Cb 0.48 -2.31 -0.01 0.00 0.00 0.00 0.00 31.44 29.60 1rgp n GLU 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1rgp n GLY 82 N 2.22 0.41 3.77 8.31 0.00 -0.77 -4.95 105.19 114.19 1rgp n GLY 82 Ca 0.13 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1rgp n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rgp s ILE 83 N -1.71 2.74 0.00 -0.61 -5.25 -0.97 -0.97 121.20 114.44 1rgp s ILE 83 Ca 0.00 0.72 0.00 0.00 -0.99 0.00 0.00 60.65 60.38 1rgp s ILE 83 Cb 0.00 -3.45 0.00 0.00 2.95 0.00 0.00 42.46 41.96 1rgp s ILE 83 CO 0.00 0.15 0.00 0.49 -1.79 0.00 0.00 174.94 173.79 1rgp n PHE 84 N 0.62 0.00 0.25 1.37 3.72 -1.26 -4.78 117.46 117.37 1rgp n PHE 84 Ca 0.01 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.44 1rgp n PHE 84 Cb 0.43 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.95 1rgp n PHE 84 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1rgp n ARG 85 N -2.00 3.71 -3.79 -1.08 1.85 -0.14 -4.91 116.66 110.30 1rgp n ARG 85 Ca 0.00 -0.24 -0.35 0.00 -1.00 0.00 0.00 57.85 56.26 1rgp n ARG 85 Cb 0.00 -0.86 -0.05 0.00 -1.05 0.00 0.00 32.46 30.50 1rgp n ARG 85 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1rgp s ARG 86 N -1.23 3.55 0.69 2.89 0.52 -0.83 -5.09 118.95 119.46 1rgp s ARG 86 Ca 0.03 -0.10 -0.11 0.00 -0.52 0.00 0.00 55.73 55.04 1rgp s ARG 86 Cb 0.04 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.42 1rgp s ARG 86 CO 0.18 0.67 1.06 -1.54 0.02 0.00 0.00 175.30 175.69 1rgp s SER 87 N -1.62 5.45 0.15 0.23 1.04 -1.26 -4.84 113.70 112.85 1rgp s SER 87 Ca 0.26 1.56 0.07 0.00 0.48 0.00 0.00 55.95 58.31 1rgp s SER 87 Cb -0.13 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 1rgp s SER 87 CO 0.15 -1.39 -0.15 0.00 0.98 0.00 0.00 173.24 172.83 1rgp s ALA 88 N -3.08 1.71 0.10 5.32 0.00 -1.26 -4.81 121.76 119.75 1rgp s ALA 88 Ca 0.58 -1.41 -0.33 0.00 0.00 0.00 0.00 51.96 50.80 1rgp s ALA 88 Cb -0.14 -0.10 -0.12 0.00 0.00 0.00 0.00 23.12 22.76 1rgp s ALA 88 CO 0.55 0.13 1.74 -1.71 0.00 0.00 0.00 175.76 176.46 1rgp n ASN 89 N 0.30 3.56 -0.15 0.00 5.15 -1.26 -4.84 115.26 118.02 1rgp n ASN 89 Ca -0.13 1.03 -0.03 0.00 -0.60 0.00 0.00 54.58 54.85 1rgp n ASN 89 Cb 0.58 -1.47 0.05 0.00 -0.53 0.00 0.00 39.78 38.41 1rgp n ASN 89 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1rgp h THR 90 N 4.35 0.64 -0.63 -0.44 2.02 -1.99 -0.74 112.91 116.12 1rgp h THR 90 Ca -0.46 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1rgp h THR 90 Cb 1.24 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1rgp h THR 90 CO 0.93 0.02 0.29 1.56 0.37 0.00 0.00 175.52 178.69 1rgp h GLN 91 N 0.13 0.91 -0.45 6.66 7.50 -2.00 -2.49 115.11 125.38 1rgp h GLN 91 Ca 0.24 -0.14 -0.13 0.00 0.50 0.00 0.00 58.65 59.12 1rgp h GLN 91 Cb 0.35 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.71 1rgp h GLN 91 CO -0.39 0.73 -0.23 0.28 -1.50 0.00 0.00 178.83 177.72 1rgp h VAL 92 N 0.86 1.27 -0.42 -0.54 2.07 -1.89 -1.58 116.25 116.03 1rgp h VAL 92 Ca 0.21 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.37 1rgp h VAL 92 Cb 0.13 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1rgp h VAL 92 CO -0.03 0.47 0.24 0.58 0.02 0.00 0.00 177.57 178.86 1rgp h VAL 93 N 0.79 1.03 -0.68 2.57 2.07 -1.04 -1.77 116.25 119.22 1rgp h VAL 93 Ca 0.10 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1rgp h VAL 93 Cb 0.79 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1rgp h VAL 93 CO 0.07 0.09 0.24 0.03 0.02 0.00 0.00 177.57 178.02 1rgp h ARG 94 N 0.49 1.01 0.07 1.57 3.08 -1.31 -0.41 114.38 118.88 1rgp h ARG 94 Ca 0.17 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1rgp h ARG 94 Cb 0.02 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1rgp h ARG 94 CO -0.08 0.84 -0.18 1.49 -1.07 0.00 0.00 179.97 180.97 1rgp h GLU 95 N 0.98 -0.32 -0.62 0.04 4.81 -0.96 0.43 114.58 118.95 1rgp h GLU 95 Ca 0.22 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1rgp h GLU 95 Cb 0.23 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1rgp h GLU 95 CO -0.01 -0.21 0.20 0.28 -0.73 0.00 0.00 179.01 178.54 1rgp h VAL 96 N -0.33 1.23 -0.30 0.32 2.07 -0.92 -0.61 116.25 117.72 1rgp h VAL 96 Ca 0.03 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1rgp h VAL 96 Cb 0.36 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1rgp h VAL 96 CO -0.12 0.31 0.14 1.56 0.02 0.00 0.00 177.57 179.48 1rgp h GLN 97 N 0.91 0.43 0.00 1.57 4.20 -0.73 -1.63 115.11 119.86 1rgp h GLN 97 Ca 0.21 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 1rgp h GLN 97 Cb 0.25 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1rgp h GLN 97 CO -0.01 0.41 -0.31 0.37 -0.67 0.00 0.00 178.83 178.62 1rgp h GLN 98 N 0.35 0.00 0.60 1.46 4.15 -0.61 0.12 115.11 121.18 1rgp h GLN 98 Ca 0.10 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1rgp h GLN 98 Cb 0.12 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1rgp h GLN 98 CO -0.01 0.31 -0.34 0.87 -1.93 0.00 0.00 178.83 177.72 1rgp h LYS 99 N 0.00 -0.85 -0.69 1.69 1.57 -0.59 0.29 116.57 117.99 1rgp h LYS 99 Ca -0.00 0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.94 1rgp h LYS 99 Cb 0.65 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 33.08 1rgp h LYS 99 CO 0.04 -0.57 0.31 1.88 -0.57 0.00 0.00 179.45 180.54 1rgp h TYR 100 N -0.89 0.54 0.00 -1.35 0.05 -1.11 -0.52 116.97 113.70 1rgp h TYR 100 Ca -0.08 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.67 1rgp h TYR 100 Cb 0.71 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.30 1rgp h TYR 100 CO -0.08 0.16 -0.32 -0.91 -1.05 0.00 0.00 178.16 175.97 1rgp h ASN 101 N 0.52 0.00 -0.08 3.88 2.35 -0.06 -1.89 115.58 120.30 1rgp h ASN 101 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1rgp h ASN 101 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1rgp h ASN 101 CO -0.30 0.32 0.00 0.23 -1.65 0.00 0.00 177.43 176.03 1rgp n MET 102 N -3.81 1.45 -2.31 0.81 2.81 0.96 -3.18 117.12 113.85 1rgp n MET 102 Ca -0.01 -0.67 -0.12 0.00 -1.81 0.00 0.00 57.70 55.09 1rgp n MET 102 Cb 0.40 -1.39 -0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1rgp n MET 102 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rgp n GLY 103 N 1.03 -0.07 3.87 3.03 0.00 -0.71 -4.88 105.19 107.46 1rgp n GLY 103 Ca 0.17 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1rgp n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rgp s LEU 104 N -3.39 4.17 0.09 0.99 1.43 -0.25 -5.03 118.68 116.69 1rgp s LEU 104 Ca 0.03 0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 52.99 1rgp s LEU 104 Cb -0.02 -2.79 -0.08 0.00 0.03 0.00 0.00 46.19 43.33 1rgp s LEU 104 CO 0.04 0.16 1.52 -2.16 0.23 0.00 0.00 176.35 176.14 1rgp s PRO 105 N -2.52 4.25 -0.18 1.29 0.04 -1.26 -4.35 135.00 132.27 1rgp s PRO 105 Ca 0.33 2.20 -0.09 0.00 0.04 0.00 0.00 61.00 63.48 1rgp s PRO 105 Cb -0.13 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 1rgp s PRO 105 CO 0.26 -0.60 0.13 0.08 0.04 0.00 0.00 177.00 176.91 1rgp s VAL 106 N 1.88 5.38 -0.22 -0.36 1.01 -1.26 -4.99 120.40 121.85 1rgp s VAL 106 Ca 0.69 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.85 1rgp s VAL 106 Cb -0.38 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1rgp s VAL 106 CO 0.30 0.48 -0.06 1.51 0.00 0.00 0.00 175.10 177.33 1rgp s ASP 107 N 0.04 3.63 0.23 3.32 1.47 -1.26 -4.99 116.67 119.10 1rgp s ASP 107 Ca 0.09 -1.05 0.23 0.00 1.18 0.00 0.00 52.55 53.00 1rgp s ASP 107 Cb -0.11 -1.16 0.93 0.00 -0.34 0.00 0.00 42.92 42.24 1rgp s ASP 107 CO -0.00 -0.21 1.69 0.49 0.68 0.00 0.00 175.17 177.81 1rgp n PHE 108 N 4.70 0.72 1.32 2.11 3.72 -1.26 -1.68 117.46 127.08 1rgp n PHE 108 Ca -0.13 0.28 0.12 0.00 -0.05 0.00 0.00 57.45 57.67 1rgp n PHE 108 Cb 0.45 -0.95 0.66 0.00 -0.94 0.00 0.00 39.48 38.70 1rgp n PHE 108 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1rgp n ASP 109 N -2.15 0.00 -0.87 4.37 8.00 -1.26 -3.05 116.55 121.59 1rgp n ASP 109 Ca 0.02 -0.42 0.12 0.00 0.71 0.00 0.00 54.79 55.23 1rgp n ASP 109 Cb 0.23 -0.14 0.26 0.00 -0.02 0.00 0.00 41.12 41.45 1rgp n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rgp n GLN 110 N -1.14 2.16 -4.37 -1.24 6.02 -0.68 -4.90 117.38 113.24 1rgp n GLN 110 Ca 0.15 -1.73 -0.25 0.00 -0.01 0.00 0.00 57.00 55.16 1rgp n GLN 110 Cb 0.13 -1.47 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 1rgp n GLN 110 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1rgp s TYR 111 N -1.79 2.50 -0.02 1.08 2.02 -1.17 -5.09 117.35 114.87 1rgp s TYR 111 Ca 0.34 -0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 56.53 1rgp s TYR 111 Cb 0.21 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.58 1rgp s TYR 111 CO 0.30 0.61 0.71 1.21 -1.57 0.00 0.00 175.55 176.81 1rgp s ASN 112 N -3.29 7.06 0.00 2.29 3.04 -1.26 -4.91 114.94 117.87 1rgp s ASN 112 Ca 0.28 1.27 0.00 0.00 0.04 0.00 0.00 52.86 54.45 1rgp s ASN 112 Cb -0.07 -2.42 0.00 0.00 -1.54 0.00 0.00 41.25 37.22 1rgp s ASN 112 CO 0.16 -0.04 0.00 -0.62 -3.04 0.00 0.00 177.10 173.56 1rgp n GLU 113 N 3.30 0.00 0.00 0.43 -0.58 -1.26 -4.76 120.64 117.77 1rgp n GLU 113 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1rgp n GLU 113 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 1rgp n GLU 113 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1rgp n LEU 114 N 0.00 0.00 0.10 -4.62 4.77 -1.26 -4.83 117.00 111.17 1rgp n LEU 114 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1rgp n LEU 114 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 1rgp n LEU 114 CO 0.00 0.00 0.67 0.45 -1.33 0.00 0.00 177.39 177.18 1rgp h HIS 115 N 0.00 0.25 -0.06 -1.77 3.86 -1.90 -3.14 115.15 112.38 1rgp h HIS 115 Ca 0.00 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1rgp h HIS 115 Cb 0.00 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.36 1rgp h HIS 115 CO 0.00 0.57 -0.31 1.25 0.86 0.00 0.00 177.93 180.30 1rgp h LEU 116 N 0.18 -0.95 -1.19 2.43 5.85 -1.87 -0.84 115.31 118.92 1rgp h LEU 116 Ca 0.02 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1rgp h LEU 116 Cb 0.76 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1rgp h LEU 116 CO 0.06 -0.36 0.08 1.55 -0.34 0.00 0.00 178.44 179.43 1rgp h PRO 117 N -0.42 0.65 -0.75 5.25 0.13 -1.96 0.17 132.00 135.06 1rgp h PRO 117 Ca 0.08 -0.12 -0.05 0.00 -0.87 0.00 0.00 66.00 65.03 1rgp h PRO 117 Cb 0.54 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 1rgp h PRO 117 CO -0.30 0.61 0.26 0.00 -0.23 0.00 0.00 178.00 178.33 1rgp h ALA 118 N 1.47 0.98 -0.28 -0.56 0.00 -1.48 -0.95 119.26 118.45 1rgp h ALA 118 Ca 0.14 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1rgp h ALA 118 Cb 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rgp h ALA 118 CO 0.00 0.65 -0.56 0.28 0.00 0.00 0.00 179.25 179.62 1rgp h VAL 119 N 1.11 1.27 -0.78 0.00 2.07 -0.40 -2.71 116.25 116.82 1rgp h VAL 119 Ca 0.25 -1.75 0.05 0.00 0.82 0.00 0.00 66.70 66.07 1rgp h VAL 119 Cb 0.28 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1rgp h VAL 119 CO -0.01 0.57 0.48 0.40 0.02 0.00 0.00 177.57 179.03 1rgp h ILE 120 N 0.66 1.06 -0.18 4.57 1.08 -0.53 -0.73 117.51 123.44 1rgp h ILE 120 Ca 0.01 -0.31 0.05 0.00 -0.39 0.00 0.00 64.86 64.22 1rgp h ILE 120 Cb 1.18 0.08 -0.06 0.00 -3.07 0.00 0.00 36.82 34.95 1rgp h ILE 120 CO 0.13 0.16 -0.18 0.25 -0.69 0.00 0.00 178.15 177.82 1rgp h LEU 121 N 0.90 -0.57 -0.94 1.44 7.12 -1.07 0.23 115.31 122.42 1rgp h LEU 121 Ca 0.33 0.11 -0.08 0.00 0.13 0.00 0.00 57.88 58.36 1rgp h LEU 121 Cb 0.10 0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.49 1rgp h LEU 121 CO -0.14 -0.23 -0.14 0.11 -0.13 0.00 0.00 178.44 177.91 1rgp h LYS 122 N -0.20 0.62 -0.45 1.25 1.57 -1.30 -2.46 116.57 115.60 1rgp h LYS 122 Ca 0.12 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1rgp h LYS 122 Cb 0.37 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1rgp h LYS 122 CO -0.30 0.74 -0.21 1.15 -0.57 0.00 0.00 179.45 180.26 1rgp h THR 123 N 0.56 1.27 0.21 -0.16 2.02 -0.61 -1.79 112.91 114.41 1rgp h THR 123 Ca 0.10 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 65.94 1rgp h THR 123 Cb 0.56 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1rgp h THR 123 CO 0.04 0.46 -0.34 0.15 0.37 0.00 0.00 175.52 176.20 1rgp h PHE 124 N 0.78 -0.93 -0.44 3.16 3.57 -0.30 -1.71 116.94 121.08 1rgp h PHE 124 Ca 0.11 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.71 1rgp h PHE 124 Cb 0.76 0.38 -0.09 0.00 2.79 0.00 0.00 35.95 39.79 1rgp h PHE 124 CO 0.05 -0.46 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.47 1rgp h LEU 125 N -0.63 -0.45 -1.56 0.59 3.38 -1.21 -2.75 115.31 112.69 1rgp h LEU 125 Ca 0.01 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1rgp h LEU 125 Cb 0.62 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1rgp h LEU 125 CO -0.14 -0.16 0.23 -0.09 0.09 0.00 0.00 178.44 178.37 1rgp h ARG 126 N -0.02 0.53 -0.01 1.13 9.65 -0.88 -2.38 114.38 122.40 1rgp h ARG 126 Ca 0.21 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1rgp h ARG 126 Cb 0.34 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1rgp h ARG 126 CO -0.46 0.38 -0.12 0.39 2.80 0.00 0.00 179.97 182.96 1rgp n GLU 127 N -4.45 1.38 -1.52 0.20 -0.58 -0.68 -4.92 120.64 110.07 1rgp n GLU 127 Ca 0.03 -0.86 -0.40 0.00 -0.42 0.00 0.00 57.16 55.52 1rgp n GLU 127 Cb 0.08 -1.48 0.03 0.00 -0.57 0.00 0.00 31.44 29.50 1rgp n GLU 127 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1rgp n LEU 128 N -0.06 1.48 0.20 -4.62 4.77 -0.90 -3.02 117.00 114.85 1rgp n LEU 128 Ca 0.16 0.85 0.04 0.00 -0.03 0.00 0.00 56.01 57.03 1rgp n LEU 128 Cb 0.37 -1.23 0.40 0.00 -2.33 0.00 0.00 43.42 40.63 1rgp n LEU 128 CO 0.20 -2.47 0.76 -0.65 -1.33 0.00 0.00 177.39 173.90 1rgp h PRO 129 N 0.69 0.00 -5.22 3.23 0.11 -1.83 -3.39 132.00 125.59 1rgp h PRO 129 Ca -0.45 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.25 1rgp h PRO 129 Cb 1.38 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.26 1rgp h PRO 129 CO 0.51 0.33 -0.78 -1.21 -0.21 0.00 0.00 178.00 176.64 1rgp s GLU 130 N -4.17 0.84 0.57 1.05 2.02 -1.26 -5.13 118.70 112.62 1rgp s GLU 130 Ca -0.03 -0.80 -0.20 0.00 0.02 0.00 0.00 54.97 53.97 1rgp s GLU 130 Cb 0.14 -0.82 -0.04 0.00 0.10 0.00 0.00 34.13 33.51 1rgp s GLU 130 CO 0.70 0.19 1.22 -1.25 0.02 0.00 0.00 175.26 176.15 1rgp s PRO 131 N -1.33 3.08 1.18 0.39 0.04 -1.26 -4.92 135.00 132.18 1rgp s PRO 131 Ca -0.01 1.88 -0.13 0.00 0.04 0.00 0.00 61.00 62.78 1rgp s PRO 131 Cb -0.08 -2.03 0.29 0.00 0.04 0.00 0.00 34.50 32.72 1rgp s PRO 131 CO 0.01 -1.13 1.03 -1.17 0.04 0.00 0.00 177.00 175.78 1rgp s LEU 132 N -3.88 0.71 0.00 -3.56 2.96 -1.23 -1.05 118.68 112.63 1rgp s LEU 132 Ca 0.75 1.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.07 1rgp s LEU 132 Cb -0.32 -3.29 0.00 0.00 0.50 0.00 0.00 46.19 43.08 1rgp s LEU 132 CO 0.35 -4.23 0.00 0.18 -1.32 0.00 0.00 176.35 171.34 1rgp n LEU 133 N -4.92 0.00 0.00 -0.68 4.32 -1.16 -4.43 117.00 110.13 1rgp n LEU 133 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 1rgp n LEU 133 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 1rgp n LEU 133 CO 0.57 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 177.09 1rgp n THR 134 N -0.10 -0.01 0.27 -5.08 -2.24 -0.21 -4.21 114.28 102.70 1rgp n THR 134 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1rgp n THR 134 Cb 0.00 -0.00 0.78 0.00 -2.10 0.00 0.00 70.33 69.01 1rgp n THR 134 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1rgp h PHE 135 N 0.00 0.00 0.00 4.78 0.04 -1.85 -2.04 116.94 117.87 1rgp h PHE 135 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1rgp h PHE 135 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1rgp h PHE 135 CO 0.00 0.08 -0.04 -0.44 -0.60 0.00 0.00 178.31 177.31 1rgp h ASP 136 N 0.00 0.00 0.00 2.17 3.32 -1.98 -1.90 116.42 118.04 1rgp h ASP 136 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rgp h ASP 136 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1rgp h ASP 136 CO 0.01 0.04 -0.00 0.18 -1.72 0.00 0.00 179.24 177.75 1rgp n LEU 137 N -3.29 0.86 -0.13 1.55 4.32 -0.77 -4.51 117.00 115.04 1rgp n LEU 137 Ca -0.01 -0.28 -0.08 0.00 -0.02 0.00 0.00 56.01 55.61 1rgp n LEU 137 Cb 0.21 -0.01 -0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1rgp n LEU 137 CO 0.26 0.14 1.02 0.22 -1.22 0.00 0.00 177.39 177.81 1rgp h TYR 138 N 1.35 0.52 -0.18 -1.77 3.20 -1.46 -1.78 116.97 116.84 1rgp h TYR 138 Ca 0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 1rgp h TYR 138 Cb 0.29 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1rgp h TYR 138 CO 0.00 0.35 -0.23 -1.35 -1.64 0.00 0.00 178.16 175.29 1rgp h PRO 139 N 0.53 0.32 -0.35 1.82 0.11 -1.80 -1.22 132.00 131.41 1rgp h PRO 139 Ca 0.14 -0.11 0.03 0.00 0.11 0.00 0.00 66.00 66.17 1rgp h PRO 139 Cb -0.02 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 1rgp h PRO 139 CO -0.03 0.55 0.17 1.25 -0.21 0.00 0.00 178.00 179.73 1rgp h HIS 140 N 0.29 0.32 0.55 0.65 2.76 -1.73 -1.28 115.15 116.71 1rgp h HIS 140 Ca 0.05 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1rgp h HIS 140 Cb 0.58 -0.09 0.01 0.00 1.55 0.00 0.00 27.41 29.45 1rgp h HIS 140 CO 0.01 0.17 -0.27 0.28 -1.30 0.00 0.00 177.93 176.82 1rgp h VAL 141 N 0.35 0.14 -0.99 5.26 2.07 -0.87 -2.04 116.25 120.17 1rgp h VAL 141 Ca 0.15 -0.45 0.26 0.00 0.82 0.00 0.00 66.70 67.48 1rgp h VAL 141 Cb 0.06 0.20 -0.13 0.00 -1.52 0.00 0.00 31.29 29.90 1rgp h VAL 141 CO -0.11 0.02 0.56 0.58 0.02 0.00 0.00 177.57 178.65 1rgp h VAL 142 N -1.14 0.46 -0.35 2.57 2.07 -1.18 -1.88 116.25 116.80 1rgp h VAL 142 Ca -0.08 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1rgp h VAL 142 Cb 0.61 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1rgp h VAL 142 CO 0.12 0.09 0.01 0.61 0.02 0.00 0.00 177.57 178.43 1rgp n GLY 143 N -1.31 3.91 0.35 2.17 0.00 -0.49 -4.75 105.19 105.08 1rgp n GLY 143 Ca 0.28 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 45.38 1rgp n GLY 143 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1rgp h PHE 144 N 2.16 1.06 -0.00 1.61 3.57 -0.57 -1.25 116.94 123.52 1rgp h PHE 144 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1rgp h PHE 144 Cb 1.61 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1rgp h PHE 144 CO 0.68 0.27 -0.10 1.28 -2.23 0.00 0.00 178.31 178.21 1rgp n LEU 145 N -4.75 0.17 -1.13 0.59 4.77 -1.26 -3.48 117.00 111.91 1rgp n LEU 145 Ca 0.22 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1rgp n LEU 145 Cb 0.52 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1rgp n LEU 145 CO 0.22 0.04 0.61 0.59 -1.33 0.00 0.00 177.39 177.52 1rgp n ASN 146 N -1.36 3.52 -3.72 -1.43 3.02 -0.47 -4.68 115.26 110.14 1rgp n ASN 146 Ca 0.10 -2.06 -0.14 0.00 -0.03 0.00 0.00 54.58 52.44 1rgp n ASN 146 Cb 0.31 -0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 38.75 1rgp n ASN 146 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1rgp s ILE 147 N 0.03 0.05 0.82 2.41 -4.36 -1.23 -5.12 121.20 113.80 1rgp s ILE 147 Ca 0.00 -0.41 -0.13 0.00 -0.26 0.00 0.00 60.65 59.85 1rgp s ILE 147 Cb 0.00 -0.70 0.07 0.00 1.25 0.00 0.00 42.46 43.07 1rgp s ILE 147 CO 0.00 -0.22 1.01 0.47 0.24 0.00 0.00 174.94 176.43 1rgp n ASP 148 N 1.15 0.28 -0.17 4.36 8.00 -1.26 -4.86 116.55 124.06 1rgp n ASP 148 Ca -0.21 0.54 0.05 0.00 0.71 0.00 0.00 54.79 55.88 1rgp n ASP 148 Cb 0.56 -1.43 0.34 0.00 -0.02 0.00 0.00 41.12 40.57 1rgp n ASP 148 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1rgp h GLU 149 N -0.99 0.77 -0.74 -1.24 4.81 -1.95 0.20 114.58 115.44 1rgp h GLU 149 Ca -0.46 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 58.81 1rgp h GLU 149 Cb 1.30 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 1rgp h GLU 149 CO 0.44 0.51 0.49 0.66 -0.73 0.00 0.00 179.01 180.37 1rgp h SER 150 N 0.79 0.62 0.08 1.04 4.64 -2.04 -2.91 113.55 115.78 1rgp h SER 150 Ca 0.28 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1rgp h SER 150 Cb 0.12 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rgp h SER 150 CO -0.08 0.39 -0.44 0.00 -0.87 0.00 0.00 176.83 175.82 1rgp n GLN 151 N -4.49 0.98 -0.03 4.77 6.02 0.69 -4.60 117.38 120.72 1rgp n GLN 151 Ca 0.12 -0.75 -0.12 0.00 -0.01 0.00 0.00 57.00 56.24 1rgp n GLN 151 Cb 0.29 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.00 1rgp n GLN 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rgp h ARG 152 N 1.82 0.19 0.43 -1.09 3.08 -1.28 -1.80 114.38 115.73 1rgp h ARG 152 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1rgp h ARG 152 Cb 0.65 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1rgp h ARG 152 CO 0.00 0.34 -0.20 0.28 -1.07 0.00 0.00 179.97 179.31 1rgp h VAL 153 N 0.01 0.58 -0.79 2.04 2.07 -1.81 -1.59 116.25 116.75 1rgp h VAL 153 Ca 0.04 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.54 1rgp h VAL 153 Cb 0.23 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 1rgp h VAL 153 CO -0.00 0.02 0.47 -0.65 0.02 0.00 0.00 177.57 177.43 1rgp h PRO 154 N -0.62 0.82 -0.58 1.57 0.11 -1.84 0.05 132.00 131.52 1rgp h PRO 154 Ca -0.06 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 1rgp h PRO 154 Cb 0.47 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 1rgp h PRO 154 CO 0.10 0.54 0.21 0.00 -0.21 0.00 0.00 178.00 178.64 1rgp h ALA 155 N 1.40 1.27 0.02 -0.75 0.00 -1.32 -1.83 119.26 118.05 1rgp h ALA 155 Ca 0.35 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 1rgp h ALA 155 Cb 0.21 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1rgp h ALA 155 CO -0.19 0.53 -1.00 1.15 0.00 0.00 0.00 179.25 179.74 1rgp h THR 156 N 0.84 1.40 -0.70 0.00 2.02 -0.76 -1.17 112.91 114.54 1rgp h THR 156 Ca 0.20 -2.51 -0.00 0.00 0.77 0.00 0.00 66.41 64.86 1rgp h THR 156 Cb 0.20 2.49 -0.03 0.00 -1.74 0.00 0.00 68.15 69.07 1rgp h THR 156 CO -0.01 0.75 0.42 -0.07 0.37 0.00 0.00 175.52 176.97 1rgp h LEU 157 N 0.23 0.84 -0.18 2.58 3.38 -0.84 0.25 115.31 121.56 1rgp h LEU 157 Ca -0.10 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1rgp h LEU 157 Cb 1.65 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 1rgp h LEU 157 CO 0.18 0.65 -0.13 1.56 0.09 0.00 0.00 178.44 180.78 1rgp h GLN 158 N 0.95 -0.14 0.00 1.13 4.20 -1.22 -2.69 115.11 117.35 1rgp h GLN 158 Ca 0.25 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.84 1rgp h GLN 158 Cb -0.03 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1rgp h GLN 158 CO -0.05 -0.09 -0.63 -0.39 -0.67 0.00 0.00 178.83 177.00 1rgp h VAL 159 N -0.14 1.13 0.00 -0.54 -1.51 -0.78 -3.11 116.25 111.30 1rgp h VAL 159 Ca 0.11 -2.46 -0.00 0.00 -1.23 0.00 0.00 66.70 63.11 1rgp h VAL 159 Cb 0.30 2.47 -0.00 0.00 -2.13 0.00 0.00 31.29 31.93 1rgp h VAL 159 CO -0.26 0.62 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.62 1rgp h LEU 160 N 0.00 0.00 -1.53 4.19 3.38 -0.24 -2.47 115.31 118.64 1rgp h LEU 160 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1rgp h LEU 160 Cb 1.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1rgp h LEU 160 CO 0.08 0.01 -0.24 1.56 0.09 0.00 0.00 178.44 179.94 1rgp h GLN 161 N 0.00 0.00 0.00 1.13 4.20 -1.41 -2.94 115.11 116.09 1rgp h GLN 161 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1rgp h GLN 161 Cb 0.43 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1rgp h GLN 161 CO 0.00 0.24 -0.18 1.15 -0.67 0.00 0.00 178.83 179.37 1rgp h THR 162 N 0.00 0.68 -3.93 -0.54 2.02 -1.62 -3.45 112.91 106.06 1rgp h THR 162 Ca -0.00 -0.77 -0.54 0.00 0.77 0.00 0.00 66.41 65.87 1rgp h THR 162 Cb 0.47 1.49 0.10 0.00 -1.74 0.00 0.00 68.15 68.47 1rgp h THR 162 CO 0.03 0.18 0.75 -0.76 0.37 0.00 0.00 175.52 176.09 1rgp s LEU 163 N -7.32 4.34 0.43 2.58 1.43 -1.11 -4.95 118.68 114.07 1rgp s LEU 163 Ca -0.02 2.99 -0.24 0.00 -1.03 0.00 0.00 54.13 55.83 1rgp s LEU 163 Cb 0.13 -3.67 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 1rgp s LEU 163 CO 0.62 -0.82 0.98 -2.65 0.23 0.00 0.00 176.35 174.72 1rgp n PRO 164 N 0.51 1.29 -0.34 1.29 -0.02 -1.26 -4.69 135.00 131.77 1rgp n PRO 164 Ca 0.01 0.46 0.17 0.00 -2.02 0.00 0.00 63.50 62.12 1rgp n PRO 164 Cb 0.40 -2.03 0.37 0.00 -0.02 0.00 0.00 33.50 32.23 1rgp n PRO 164 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1rgp h GLU 165 N 1.44 0.58 -0.68 -0.52 4.81 -1.94 -0.47 114.58 117.79 1rgp h GLU 165 Ca -0.45 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1rgp h GLU 165 Cb 1.34 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 1rgp h GLU 165 CO 0.56 0.38 0.45 0.93 -0.73 0.00 0.00 179.01 180.60 1rgp h GLU 166 N 0.59 0.89 -0.16 1.92 4.39 -1.95 -1.00 114.58 119.27 1rgp h GLU 166 Ca 0.63 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 60.14 1rgp h GLU 166 Cb 1.18 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1rgp h GLU 166 CO -0.47 0.59 -0.44 -0.91 -1.16 0.00 0.00 179.01 176.62 1rgp h ASN 167 N 0.92 0.66 -0.61 1.42 4.21 -1.45 -1.98 115.58 118.75 1rgp h ASN 167 Ca 0.25 -0.59 -0.07 0.00 1.21 0.00 0.00 56.30 57.11 1rgp h ASN 167 Cb -0.09 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 36.89 1rgp h ASN 167 CO -0.06 1.13 0.12 0.22 -1.29 0.00 0.00 177.43 177.55 1rgp h TYR 168 N 0.23 1.06 -0.43 1.19 3.20 -1.20 0.76 116.97 121.78 1rgp h TYR 168 Ca -0.01 -0.14 -0.11 0.00 3.14 0.00 0.00 58.73 61.61 1rgp h TYR 168 Cb 1.06 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1rgp h TYR 168 CO 0.10 0.90 -0.17 1.96 -1.64 0.00 0.00 178.16 179.31 1rgp h GLN 169 N 0.91 0.87 0.34 1.82 4.20 -1.08 0.06 115.11 122.23 1rgp h GLN 169 Ca 0.19 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 1rgp h GLN 169 Cb 0.40 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1rgp h GLN 169 CO 0.01 1.01 -0.17 0.28 -0.67 0.00 0.00 178.83 179.29 1rgp h VAL 170 N 0.70 0.68 -0.48 -0.54 2.07 -1.31 0.70 116.25 118.06 1rgp h VAL 170 Ca 0.10 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1rgp h VAL 170 Cb 0.72 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1rgp h VAL 170 CO 0.05 0.05 0.20 0.25 0.02 0.00 0.00 177.57 178.15 1rgp h LEU 171 N -0.60 0.25 -0.39 2.57 5.85 -0.77 0.10 115.31 122.32 1rgp h LEU 171 Ca -0.05 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1rgp h LEU 171 Cb 0.44 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1rgp h LEU 171 CO 0.08 0.18 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.25 1rgp h ARG 172 N 0.40 0.09 -0.54 1.25 2.43 -0.95 0.00 114.38 117.07 1rgp h ARG 172 Ca 0.22 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1rgp h ARG 172 Cb 0.19 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1rgp h ARG 172 CO -0.20 0.06 0.07 0.35 -1.51 0.00 0.00 179.97 178.74 1rgp h PHE 173 N 0.09 0.98 -0.07 2.20 3.57 -0.50 -1.62 116.94 121.59 1rgp h PHE 173 Ca 0.19 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1rgp h PHE 173 Cb 0.27 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1rgp h PHE 173 CO -0.27 0.87 0.01 1.25 -2.23 0.00 0.00 178.31 177.94 1rgp h LEU 174 N 0.80 0.10 -1.04 0.59 5.85 -0.64 -2.75 115.31 118.23 1rgp h LEU 174 Ca 0.16 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 1rgp h LEU 174 Cb 0.44 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1rgp h LEU 174 CO 0.01 0.33 -0.47 0.74 -0.34 0.00 0.00 178.44 178.71 1rgp h THR 175 N -0.12 1.31 -0.52 1.05 2.02 -1.03 0.12 112.91 115.74 1rgp h THR 175 Ca 0.02 -1.63 -0.08 0.00 0.77 0.00 0.00 66.41 65.49 1rgp h THR 175 Cb 0.27 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1rgp h THR 175 CO 0.00 0.46 0.00 0.00 0.37 0.00 0.00 175.52 176.36 1rgp h ALA 176 N 1.53 1.03 -0.12 6.16 0.00 -1.26 -1.80 119.26 124.79 1rgp h ALA 176 Ca -0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1rgp h ALA 176 Cb 0.85 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1rgp h ALA 176 CO 0.06 0.60 -0.64 0.35 0.00 0.00 0.00 179.25 179.62 1rgp h PHE 177 N 0.81 0.60 -0.18 0.00 3.57 -1.07 -2.57 116.94 118.10 1rgp h PHE 177 Ca 0.15 -0.24 -0.11 0.00 3.53 0.00 0.00 57.97 61.31 1rgp h PHE 177 Cb 0.48 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1rgp h PHE 177 CO 0.03 0.98 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.66 1rgp h LEU 178 N 0.34 0.39 -0.88 0.59 3.38 -0.52 -1.39 115.31 117.22 1rgp h LEU 178 Ca -0.01 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1rgp h LEU 178 Cb 1.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1rgp h LEU 178 CO 0.11 0.72 -0.27 0.58 0.09 0.00 0.00 178.44 179.67 1rgp h VAL 179 N 0.33 0.61 -0.23 1.22 2.07 -1.32 -1.74 116.25 117.19 1rgp h VAL 179 Ca 0.04 -1.33 -0.16 0.00 0.82 0.00 0.00 66.70 66.07 1rgp h VAL 179 Cb 0.78 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1rgp h VAL 179 CO 0.06 0.27 -0.50 -0.61 0.02 0.00 0.00 177.57 176.81 1rgp h GLN 180 N 0.00 0.63 -0.06 1.57 4.15 -1.02 -1.51 115.11 118.87 1rgp h GLN 180 Ca -0.00 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.05 1rgp h GLN 180 Cb 0.87 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.59 1rgp h GLN 180 CO 0.04 0.98 0.04 0.82 -1.93 0.00 0.00 178.83 178.78 1rgp h ILE 181 N 0.50 1.02 0.00 2.39 1.08 -1.02 -3.13 117.51 118.34 1rgp h ILE 181 Ca 0.02 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1rgp h ILE 181 Cb 1.04 0.93 -0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1rgp h ILE 181 CO 0.10 0.02 -0.14 0.77 -0.69 0.00 0.00 178.15 178.20 1rgp h SER 182 N 0.08 0.00 0.39 1.72 4.64 -1.29 -0.18 113.55 118.91 1rgp h SER 182 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1rgp h SER 182 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1rgp h SER 182 CO -0.00 0.14 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 1rgp h ALA 183 N 1.86 1.00 -0.64 5.18 0.00 -1.21 -2.22 119.26 123.23 1rgp h ALA 183 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1rgp h ALA 183 Cb 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1rgp h ALA 183 CO 0.02 0.00 0.18 0.72 0.00 0.00 0.00 179.25 180.16 1rgp n HIS 184 N -2.64 2.16 -0.20 0.00 -0.00 -0.08 -4.74 115.22 109.72 1rgp n HIS 184 Ca -0.01 -1.11 0.16 0.00 -0.00 0.00 0.00 57.72 56.76 1rgp n HIS 184 Cb 0.15 -0.61 0.49 0.00 -0.00 0.00 0.00 29.99 30.01 1rgp n HIS 184 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1rgp h SER 185 N 2.73 0.44 -1.01 0.41 0.87 -1.45 0.85 113.55 116.39 1rgp h SER 185 Ca 0.19 0.03 0.12 0.00 -1.23 0.00 0.00 61.79 60.89 1rgp h SER 185 Cb 2.15 -0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 63.97 1rgp h SER 185 CO 0.62 0.21 0.64 0.44 -0.53 0.00 0.00 176.83 178.21 1rgp h ASP 186 N 0.46 0.94 0.00 6.23 5.19 -1.85 0.27 116.42 127.66 1rgp h ASP 186 Ca 0.41 0.04 -0.37 0.00 -0.62 0.00 0.00 57.03 56.50 1rgp h ASP 186 Cb 0.90 -0.15 -0.07 0.00 0.18 0.00 0.00 39.33 40.20 1rgp h ASP 186 CO -0.15 0.51 -2.38 0.00 -3.12 0.00 0.00 179.24 174.10 1rgp n GLN 187 N -4.61 0.68 0.00 3.56 0.00 0.14 -4.55 117.38 112.60 1rgp n GLN 187 Ca 0.19 0.10 0.12 0.00 0.00 0.00 0.00 57.00 57.41 1rgp n GLN 187 Cb 0.34 -1.49 0.30 0.00 0.00 0.00 0.00 30.24 29.38 1rgp n GLN 187 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1rgp n ASN 188 N -3.09 0.70 0.00 2.61 0.23 -0.28 -4.36 115.26 111.07 1rgp n ASN 188 Ca -0.40 -0.50 0.00 0.00 -0.53 0.00 0.00 54.58 53.14 1rgp n ASN 188 Cb 1.01 0.21 0.00 0.00 -2.08 0.00 0.00 39.78 38.92 1rgp n ASN 188 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1rgp n LYS 189 N -1.18 -0.34 -3.17 -3.83 4.76 0.95 -1.85 118.16 113.52 1rgp n LYS 189 Ca 0.08 0.08 -0.45 0.00 -2.87 0.00 0.00 58.31 55.15 1rgp n LYS 189 Cb 0.34 -3.73 -0.01 0.00 -1.84 0.00 0.00 35.03 29.79 1rgp n LYS 189 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1rgp s MET 190 N -0.71 3.95 1.15 1.97 -1.94 -1.26 -4.90 119.30 117.57 1rgp s MET 190 Ca 0.00 -2.66 -0.16 0.00 -1.71 0.00 0.00 55.69 51.17 1rgp s MET 190 Cb 0.00 -4.72 0.26 0.00 2.01 0.00 0.00 34.83 32.38 1rgp s MET 190 CO 0.00 -1.47 1.06 -0.08 -0.01 0.00 0.00 175.02 174.51 1rgp s THR 191 N 0.42 1.80 0.27 2.05 -1.32 -1.26 -3.86 115.64 113.74 1rgp s THR 191 Ca 0.31 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.78 1rgp s THR 191 Cb -0.07 -2.34 0.27 0.00 -1.51 0.00 0.00 72.50 68.85 1rgp s THR 191 CO -0.06 0.00 1.87 0.78 -2.21 0.00 0.00 174.62 175.00 1rgp h ASN 192 N -2.47 1.01 0.33 8.08 2.35 -1.94 -0.97 115.58 121.98 1rgp h ASN 192 Ca -0.53 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.23 1rgp h ASN 192 Cb 1.33 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 1rgp h ASN 192 CO 0.46 0.62 -0.18 0.74 -1.65 0.00 0.00 177.43 177.43 1rgp h THR 193 N 1.14 0.62 -0.93 2.81 2.02 -1.92 0.97 112.91 117.61 1rgp h THR 193 Ca 0.45 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.80 1rgp h THR 193 Cb 0.24 0.62 -0.10 0.00 -1.74 0.00 0.00 68.15 67.17 1rgp h THR 193 CO -0.19 0.00 0.52 0.78 0.37 0.00 0.00 175.52 177.00 1rgp h ASN 194 N -0.48 0.64 -0.44 4.18 2.35 -1.78 -2.09 115.58 117.97 1rgp h ASN 194 Ca -0.04 0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 1rgp h ASN 194 Cb 0.38 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1rgp h ASN 194 CO 0.05 0.23 -0.20 -0.07 -1.65 0.00 0.00 177.43 175.79 1rgp h LEU 195 N 0.67 0.93 -0.73 1.61 3.38 -1.07 -2.92 115.31 117.18 1rgp h LEU 195 Ca 0.53 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1rgp h LEU 195 Cb 0.82 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1rgp h LEU 195 CO -0.39 1.13 0.43 0.00 0.09 0.00 0.00 178.44 179.69 1rgp h ALA 196 N 0.84 0.99 -0.40 1.53 0.00 -0.58 0.29 119.26 121.92 1rgp h ALA 196 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1rgp h ALA 196 Cb 0.77 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1rgp h ALA 196 CO 0.06 0.12 0.27 0.28 0.00 0.00 0.00 179.25 179.99 1rgp h VAL 197 N 0.78 1.10 0.00 0.00 2.07 -1.20 -0.98 116.25 118.03 1rgp h VAL 197 Ca 0.32 -0.19 -0.23 0.00 0.82 0.00 0.00 66.70 67.43 1rgp h VAL 197 Cb 0.18 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1rgp h VAL 197 CO -0.18 0.10 -1.62 1.33 0.02 0.00 0.00 177.57 177.22 1rgp n VAL 198 N -4.48 1.36 0.03 2.57 0.24 -0.86 -4.40 118.33 112.79 1rgp n VAL 198 Ca 0.03 -0.74 -0.17 0.00 -2.04 0.00 0.00 64.34 61.41 1rgp n VAL 198 Cb 0.06 -0.83 -0.14 0.00 -1.47 0.00 0.00 33.84 31.46 1rgp n VAL 198 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1rgp h PHE 199 N 0.00 0.42 -0.81 6.34 0.04 -0.31 -3.40 116.94 119.22 1rgp h PHE 199 Ca -0.24 -0.30 0.07 0.00 2.80 0.00 0.00 57.97 60.30 1rgp h PHE 199 Cb 1.81 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 39.84 1rgp h PHE 199 CO 0.00 1.47 -0.47 0.41 -0.60 0.00 0.00 178.31 179.12 1rgp n GLY 200 N 1.77 -2.09 0.31 -1.45 0.00 -0.38 0.41 105.19 103.76 1rgp n GLY 200 Ca -0.22 0.96 0.21 0.00 0.00 0.00 0.00 46.02 46.96 1rgp n GLY 200 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rgp h PRO 201 N 0.00 0.00 -0.01 1.61 0.11 -1.80 -1.81 132.00 130.09 1rgp h PRO 201 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1rgp h PRO 201 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1rgp h PRO 201 CO -0.76 0.00 -0.39 0.09 -0.21 0.00 0.00 178.00 176.73 1rgp n ASN 202 N -3.10 1.66 -0.02 -2.05 3.02 0.17 -4.25 115.26 110.68 1rgp n ASN 202 Ca -0.02 -1.29 0.05 0.00 -0.03 0.00 0.00 54.58 53.30 1rgp n ASN 202 Cb 0.16 0.35 -0.14 0.00 -0.61 0.00 0.00 39.78 39.55 1rgp n ASN 202 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rgp n LEU 203 N -0.25 0.00 -3.63 3.41 7.99 -0.53 -3.89 117.00 120.10 1rgp n LEU 203 Ca 0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.98 1rgp n LEU 203 Cb 0.42 0.09 -0.07 0.00 -0.11 0.00 0.00 43.42 43.75 1rgp n LEU 203 CO 0.27 0.09 0.49 -0.76 -1.51 0.00 0.00 177.39 175.97 1rgp s LEU 204 N -4.45 -0.70 -0.28 2.23 2.01 -1.08 -3.01 118.68 113.41 1rgp s LEU 204 Ca -0.07 1.33 -0.01 0.00 0.01 0.00 0.00 54.13 55.39 1rgp s LEU 204 Cb 0.10 2.34 0.04 0.00 0.01 0.00 0.00 46.19 48.68 1rgp s LEU 204 CO 0.73 -0.23 -0.04 -1.66 1.01 0.00 0.00 176.35 176.16 1rgp s TRP 205 N 0.43 3.20 0.00 0.29 -2.14 -1.26 -4.57 118.94 114.90 1rgp s TRP 205 Ca -0.00 -1.86 0.00 0.00 2.66 0.00 0.00 56.10 56.90 1rgp s TRP 205 Cb -0.05 -2.06 0.00 0.00 -3.10 0.00 0.00 33.47 28.26 1rgp s TRP 205 CO -0.02 -0.80 0.00 -0.89 -2.66 0.00 0.00 176.95 172.58 1rgp n ILE 216 N 4.60 0.00 0.00 0.66 5.41 -1.26 -5.10 119.36 123.67 1rgp n ILE 216 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1rgp n ILE 216 Cb 0.44 -0.06 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 1rgp n ILE 216 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1rgp n ASN 217 N 0.00 0.00 -0.31 4.38 6.94 -1.26 -1.57 115.26 123.45 1rgp n ASN 217 Ca 0.00 0.03 0.10 0.00 -0.02 0.00 0.00 54.58 54.69 1rgp n ASN 217 Cb 0.00 0.00 0.32 0.00 -2.36 0.00 0.00 39.78 37.74 1rgp n ASN 217 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1rgp h PRO 218 N 0.00 0.79 -0.41 -0.53 0.13 -1.94 -0.95 132.00 129.09 1rgp h PRO 218 Ca 0.00 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.03 1rgp h PRO 218 Cb 0.00 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 30.94 1rgp h PRO 218 CO 0.00 0.52 0.05 0.82 -0.23 0.00 0.00 178.00 179.16 1rgp h ILE 219 N 0.82 1.25 -0.20 -3.56 2.04 -1.84 -1.25 117.51 114.77 1rgp h ILE 219 Ca 0.47 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 1rgp h ILE 219 Cb 0.63 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1rgp h ILE 219 CO -0.23 0.31 -0.25 0.78 0.00 0.00 0.00 178.15 178.76 1rgp h ASN 220 N 0.54 0.36 -0.44 1.72 2.35 -0.86 0.28 115.58 119.54 1rgp h ASN 220 Ca 0.12 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1rgp h ASN 220 Cb 0.40 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1rgp h ASN 220 CO 0.01 0.62 0.21 0.74 -1.65 0.00 0.00 177.43 177.36 1rgp h THR 221 N 0.32 1.18 -0.40 2.81 2.02 -0.83 -0.64 112.91 117.38 1rgp h THR 221 Ca 0.05 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 1rgp h THR 221 Cb 0.62 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1rgp h THR 221 CO 0.04 0.19 0.01 0.15 0.37 0.00 0.00 175.52 176.29 1rgp h PHE 222 N 0.57 0.65 -0.41 3.16 3.57 -0.87 -1.67 116.94 121.93 1rgp h PHE 222 Ca 0.15 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 1rgp h PHE 222 Cb 0.11 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1rgp h PHE 222 CO -0.01 0.62 -0.24 1.15 -2.23 0.00 0.00 178.31 177.60 1rgp h THR 223 N 0.60 1.27 -0.41 4.41 2.02 -0.61 -0.34 112.91 119.85 1rgp h THR 223 Ca 0.13 -1.37 -0.10 0.00 0.77 0.00 0.00 66.41 65.84 1rgp h THR 223 Cb 0.36 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1rgp h THR 223 CO 0.01 0.46 -0.14 0.50 0.37 0.00 0.00 175.52 176.72 1rgp h LYS 224 N 0.72 0.76 -0.81 6.66 3.64 -0.81 -2.29 116.57 124.45 1rgp h LYS 224 Ca 0.09 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1rgp h LYS 224 Cb 0.77 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 1rgp h LYS 224 CO 0.06 0.87 0.53 0.35 -2.27 0.00 0.00 179.45 178.99 1rgp h PHE 225 N 0.68 0.99 -0.64 1.91 3.57 -0.44 0.25 116.94 123.27 1rgp h PHE 225 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1rgp h PHE 225 Cb 0.63 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1rgp h PHE 225 CO 0.03 0.60 0.38 -0.07 -2.23 0.00 0.00 178.31 177.01 1rgp h LEU 226 N 1.05 0.77 -0.25 0.59 3.38 -0.78 -1.11 115.31 118.97 1rgp h LEU 226 Ca 0.31 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1rgp h LEU 226 Cb -0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1rgp h LEU 226 CO -0.09 0.62 -0.13 -0.07 0.09 0.00 0.00 178.44 178.86 1rgp h LEU 227 N 0.86 0.54 -1.04 1.67 3.38 -0.93 -2.50 115.31 117.30 1rgp h LEU 227 Ca 0.23 -0.41 0.14 0.00 0.09 0.00 0.00 57.88 57.92 1rgp h LEU 227 Cb -0.01 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.50 1rgp h LEU 227 CO -0.04 0.84 0.62 0.44 0.09 0.00 0.00 178.44 180.39 1rgp h ASP 228 N 0.25 0.88 -0.82 -0.43 3.32 -0.11 -2.88 116.42 116.63 1rgp h ASP 228 Ca 0.05 0.06 -0.59 0.00 0.02 0.00 0.00 57.03 56.57 1rgp h ASP 228 Cb 0.64 -0.12 -0.39 0.00 0.22 0.00 0.00 39.33 39.68 1rgp h ASP 228 CO 0.04 0.44 -0.32 1.41 -1.72 0.00 0.00 179.24 179.09 1rgp n HIS 229 N -4.64 2.88 0.13 4.55 8.25 -0.45 -4.83 115.22 121.11 1rgp n HIS 229 Ca 0.20 -2.46 -0.13 0.00 -0.26 0.00 0.00 57.72 55.07 1rgp n HIS 229 Cb 0.41 -0.67 -0.06 0.00 1.12 0.00 0.00 29.99 30.79 1rgp n HIS 229 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1rgp h GLN 230 N 2.12 -0.44 -0.75 -0.41 -0.00 -1.21 -0.98 115.11 113.45 1rgp h GLN 230 Ca 0.44 0.03 0.11 0.00 -0.00 0.00 0.00 58.65 59.23 1rgp h GLN 230 Cb 1.33 0.10 -0.08 0.00 0.00 0.00 0.00 27.48 28.83 1rgp h GLN 230 CO 1.00 -0.29 0.37 0.78 0.00 0.00 0.00 178.83 180.69 1rgp h GLY 231 N -0.45 1.14 1.54 2.39 0.00 -1.88 -1.02 103.07 104.79 1rgp h GLY 231 Ca 0.01 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 1rgp h GLY 231 CO -0.09 0.03 -0.54 0.83 0.00 0.00 0.00 176.54 176.77 1rgp h GLU 232 N 0.61 0.48 0.00 4.80 5.08 -1.78 -3.30 114.58 120.47 1rgp h GLU 232 Ca 0.38 -0.30 -0.20 0.00 -1.00 0.00 0.00 59.36 58.24 1rgp h GLU 232 Cb 0.44 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1rgp h GLU 232 CO -0.30 0.90 -1.34 -0.07 -1.00 0.00 0.00 179.01 177.21 1rgp h LEU 233 N 0.37 0.00 -0.04 1.33 3.38 -1.00 -3.51 115.31 115.85 1rgp h LEU 233 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rgp h LEU 233 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1rgp h LEU 233 CO 0.10 0.73 0.00 0.49 0.09 0.00 0.00 178.44 179.84